%chk=000115356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115356

0 1
 Cl  -5.140500      0.9266000       2.166200    
 O   -3.563500      -2.314800       1.343000    
 O   -1.145100      -1.568700       1.928800    
 O    2.880500       2.464900     -0.7369000    
 N   -1.188300      -2.162700     -0.3104000    
 N   0.6490000       1.896800     -0.3728000    
 C   -2.008900      -3.364300     -0.1365000    
 C   -1.815200      -4.131800      -1.446200    
 C   -1.613700      -3.026600      -2.474900    
 C  -0.8036000      -1.989400      -1.711400    
 C   -3.473800      -3.009300      0.1132000    
 C  -0.7946000      -1.384100      0.7636000    
 C   0.1152000     -0.2593000      0.4687000    
 C  -0.3051000      0.9727000      0.1002000    
 C   0.1804000       3.169300     -0.9414000    
 C   -1.732500       1.429000      9.6900001E-02
 C   -1.094300       2.985700      -1.759100    
 C   -2.134200       2.389700     -0.8530000    
 C    1.529400     -0.5568000      0.5316000    
 C    2.031800       1.659200     -0.3516000    
 C    2.470100      0.3244000      0.1652000    
 C   -2.675200       1.028100       1.056700    
 C   -3.466300       2.819500     -0.9225000    
 C    3.897300     -2.3700001E-02  0.2762000    
 C   -3.999400       1.472500      0.9981000    
 C   -4.399300       2.351700     -2.7000001E-03
 C    4.552900     -0.6333000     -0.7943000    
 C    4.595300      0.2557000       1.451900    
 C    5.904100     -0.9633000     -0.6893000    
 C    5.946500     -7.4199997E-02   1.556800    
 C    6.600900     -0.6837000      0.4861000    
 H   -1.618800      -3.930900      0.7175000    
 H   -2.648600      -4.796000      -1.693000    
 H  -0.9036000      -4.739700      -1.386300    
 H   -1.105600      -3.372500      -3.379300    
 H   -2.582700      -2.606400      -2.769000    
 H   0.2707000      -2.186300      -1.793300    
 H   -1.006000     -0.9695000      -2.049300    
 H   -4.097300      -3.907100      0.1718000    
 H   -3.876400      -2.358200     -0.6689000    
 H   0.9558000       3.606600      -1.579700    
 H   2.3800001E-02   3.860400     -0.1028000    
 H  -0.9266000       2.315000      -2.610000    
 H   -1.419900       3.957600      -2.146300    
 H    1.811000      -1.538200      0.9067000    
 H   -2.390000      0.3956000       1.888800    
 H   -3.774000       3.541700      -1.674000    
 H   -3.247700      -2.910300       2.043800    
 H   -5.426400       2.701700     -6.1700001E-02
 H    4.023500     -0.8568000      -1.717500    
 H    4.099300      0.7312000       2.294700    
 H    6.413700      -1.437600      -1.522900    
 H    6.489400      0.1436000       2.471900    
 H    7.652900     -0.9404000      0.5679000    


%chk=000115356-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115356

0 1
Cl -5.240945 0.390168 1.451586
O -3.094354 -2.430866 2.186416
O -0.414492 -2.070169 1.811107
O 2.962860 2.588708 -0.882753
N -1.417725 -2.130829 -0.279272
N 0.773876 1.821852 -0.563539
C -2.149677 -3.395909 0.067197
C -2.501820 -3.987240 -1.320969
C -2.630095 -2.744842 -2.239872
C -1.532477 -1.784939 -1.724827
C -3.396731 -3.141500 0.947355
C -0.567764 -1.560416 0.637057
C 0.280996 -0.383231 0.241627
C -0.185260 0.869584 -0.195725
C 0.330455 3.148413 -1.083500
C -1.615803 1.280756 -0.284620
C -0.876134 2.964120 -2.011284
C -1.985029 2.291045 -1.227220
C 1.685494 -0.581516 0.418443
C 2.208293 1.643840 -0.479791
C 2.653988 0.370602 0.100048
C -2.618808 0.710269 0.551144
C -3.336344 2.671759 -1.360035
C 4.097719 0.107773 0.344106
C -3.955212 1.115601 0.387734
C -4.340552 2.081813 -0.562598
C 5.122222 0.705826 -0.444761
C 4.488524 -0.784455 1.386406
C 6.480139 0.399015 -0.212978
C 5.845552 -1.084934 1.617641
C 6.851755 -0.498127 0.813925
H -1.451080 -4.039085 0.636639
H -3.426705 -4.588251 -1.287934
H -1.684232 -4.642028 -1.673064
H -2.494105 -2.986487 -3.306964
H -3.624535 -2.279365 -2.118997
H -0.563398 -1.959188 -2.232549
H -1.811562 -0.727925 -1.863341
H -3.853377 -4.130232 1.174926
H -4.143229 -2.532229 0.402172
H 1.203692 3.584461 -1.592672
H 0.069561 3.801109 -0.228155
H -0.574589 2.357350 -2.889136
H -1.205704 3.946888 -2.391251
H 1.996235 -1.552024 0.816567
H -2.384273 -0.023028 1.327717
H -3.609102 3.447797 -2.083980
H -2.112026 -2.511325 2.375666
H -5.388465 2.379779 -0.658750
H 4.844324 1.418612 -1.223777
H 3.728967 -1.219476 2.045982
H 7.250563 0.868537 -0.835006
H 6.119030 -1.764614 2.432474
H 7.907762 -0.728148 0.994688


